Chemical ID: 4537167

CCCC1=NN2C(=N)C(=Cc3cc(c(c(c3)Cl)OCc4ccc(cc4)F)OC)C(=O)N=C2S1
Chemical ID:
4537167
Name [?]:
3-[[3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methylene]-2-imino-8-propyl-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-4-one
SMILES [?]:
CCCC1=NN2C(=N)C(=Cc3cc(c(c(c3)Cl)OCc4ccc(cc4)F)OC)C(=O)N=C2S1
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H20ClFN4O3S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:11.4793
Area:690.306
Solvation:-5.77832
Coulombic:-54.5954
Bond Count [?]
All:36
Single:25
Double:11
Rotors:7
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:486.947
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:5.18
LogP (Chemaxon):5.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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